NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 F 4.3268 8.3093 122.8215 58.6261 39.5523 174.5395 30 K 3.9548 6.8010 121.3175 56.4175 34.6955 173.5381 31 D 4.8754 9.2331 126.6968 52.5011 41.6008 177.6642 32 L 4.6649 7.5005 119.8019 55.1957 43.5262 177.0321 33 N 4.1856 8.4239 111.1298 53.8562 36.6742 175.6648 34 L 4.4519 7.2850 122.5197 53.9410 42.1924 178.0361 35 T 4.2103 7.9635 109.6279 61.5941 72.6367 173.1612 36 D 4.4943 8.3080 123.7068 57.4718 40.8242 178.8532 37 A 4.0210 7.9186 120.9480 55.1444 18.4824 179.2852 38 Q 3.9147 8.0184 115.1683 59.2269 28.7588 179.1317 39 K 3.8691 8.2178 118.1648 59.8813 32.3440 178.5778 40 Q 4.1697 7.9986 121.2227 59.6644 29.0881 178.4757 41 Q 4.0342 8.1774 118.8491 58.0714 28.1751 179.9932 42 I 4.1129 8.0372 109.9191 61.8013 38.0196 177.1682 43 R 4.2918 8.2341 124.0652 59.5058 30.5046 178.1686 44 E 4.2187 7.9684 117.7163 60.8513 29.2854 181.7899 45 I 4.4010 7.9483 122.1132 61.8435 37.2260 179.1528 *47 K 4.2652 8.1254 122.3816 54.8101 32.4380 180.5946 48 G 3.8952 7.8395 103.5179 45.4986 0.0000 174.7770 49 Q 4.3928 7.8424 124.2366 58.9909 29.3980 178.0151 50 R 4.3465 7.8608 120.9955 60.5760 29.4403 178.9447 51 D 5.0327 7.7253 115.4954 54.6317 42.4978 182.7488 52 Q 4.1797 7.3041 121.2567 55.2818 27.0259 177.0778 *54 K 4.0596 7.5266 117.7773 53.9667 32.5410 177.3222 55 R 4.3056 8.0870 121.9230 54.1623 30.5093 174.9064 56 P 4.5248 0.0000 0.0000 61.4114 32.4530 174.4368 57 P 4.4086 0.0000 0.0000 62.4164 32.2476 177.5722 58 L 3.8393 8.5830 122.8116 58.0014 41.5132 179.3682 59 E 3.9223 8.3300 118.0372 59.7507 29.2008 179.1287 60 E 3.9426 8.0684 116.6758 59.5926 29.6742 179.1374 61 R 4.0916 8.0376 115.9538 59.7946 30.4672 178.5824 62 R 4.1369 8.5130 117.4304 59.2093 29.9534 179.3770 63 A 4.2007 8.0982 117.2959 53.3382 17.9435 178.6165 *65 H 4.6357 8.1228 120.0223 57.6514 31.7539 174.9925 66 D 4.3928 8.7917 119.1750 57.6022 41.0046 178.6617 67 I 3.8431 7.8990 119.1149 64.3040 37.3078 177.6408 68 I 3.9518 7.7719 119.8313 63.9029 37.3622 176.6617 69 A 4.4267 7.8172 124.9492 49.9302 17.0615 175.8090 70 S 4.6652 7.4872 113.7281 56.1421 65.8277 174.0763 71 D 4.5135 8.6602 125.2445 57.4296 40.8177 176.5341 72 T 4.5300 7.4994 110.6473 60.6630 70.4611 173.0188 73 F 4.4671 8.5456 128.1344 56.8588 38.7354 175.8483 74 D 4.4048 7.9058 128.5321 52.8697 40.3777 176.0547 75 K 3.5179 8.2019 126.8090 59.2435 32.5135 177.6628 76 A 3.7927 8.0642 120.4720 55.4818 18.0685 179.7121 77 K 3.8119 7.7745 116.1690 59.3983 32.0779 179.0686 78 A 3.8814 7.7806 121.1701 55.6300 18.2726 179.4878 79 E 3.8885 9.0753 117.3714 59.4755 29.5354 179.6364 80 A 3.9826 8.1047 120.8964 55.2109 18.2369 179.4829 81 Q 3.9226 8.2947 117.3916 59.4354 29.2104 178.2908 82 I 3.8938 7.9545 119.8735 63.8859 37.1606 177.9007 83 A 4.2101 7.8950 121.3888 54.3955 18.5165 180.1989 84 K 4.1019 7.8258 118.8190 56.3682 32.4047 178.0216 *86 E 4.3038 8.3493 120.8714 56.5204 31.7830 177.6229 87 E 3.9818 8.1099 117.2184 61.3221 29.6482 180.9278 88 Q 4.1443 8.1569 122.1741 59.6740 29.1112 178.5411 89 R 3.9511 8.0052 120.3543 61.7251 29.3818 180.2122 90 K 4.2587 8.0689 117.8668 59.4533 32.3414 179.0390 91 A 4.2121 7.9302 120.8195 54.8706 18.1551 179.0906 92 N 4.7124 8.2078 114.2381 53.5931 38.6280 177.2521 *94 L 4.1482 7.8815 122.3027 55.1498 44.0887 177.5233 95 A 4.3975 8.0866 120.7661 55.0186 18.5449 179.7162 96 H 4.8019 8.4058 112.4705 56.5043 29.0571 176.9254 *98 E 4.2559 8.1217 117.0769 56.1663 31.6030 177.9327 99 T 3.9823 8.1167 115.0488 67.3298 68.6237 176.3669 100 Q 4.0678 8.1888 119.3864 59.1725 28.6973 178.7501 101 N 4.3115 8.4234 118.2686 56.3858 38.7084 177.2179 102 K 4.0632 7.8203 119.5292 59.1771 32.4511 179.1568 103 I 3.8577 7.7134 119.6829 64.5343 37.1953 177.2647 104 Y 3.9683 8.0062 120.4051 60.9227 38.1802 177.5762 105 N 4.7868 7.9891 114.4236 53.7212 39.2578 175.8306 106 I 4.3535 7.7824 121.8609 61.2145 39.2999 176.4666 107 L 4.2524 7.4418 120.2287 54.5638 42.0882 177.2009 108 T 4.3557 9.0507 112.1807 60.1536 71.6340 174.1480 109 P 4.0699 0.0000 0.0000 65.9726 31.3158 178.8026 110 E 4.0950 8.0999 116.5533 58.9629 29.4500 179.1796 111 Q 4.0557 7.6859 118.4929 58.7725 28.9039 178.4678 112 K 3.9652 8.7002 120.0587 59.0443 31.9009 179.3665 113 K 3.9728 8.0499 120.0319 59.6601 32.1331 178.6902 114 Q 4.0079 8.2333 119.8530 59.1680 28.7961 177.5878 115 F 4.0195 8.9725 122.0093 61.4812 39.4424 176.6054 116 N 4.5290 8.9224 115.5537 56.5448 38.6493 176.9896 117 A 4.1639 8.4488 124.4761 56.2275 18.4289 180.0490 118 N 4.3821 8.5741 117.8026 57.5260 37.4092 178.9435 119 F 4.2004 7.9121 121.9282 61.4058 39.7064 176.9434 120 E 4.2949 8.6752 119.0673 59.8340 29.3383 179.8269 121 K 4.2995 8.0780 126.0087 59.8968 31.7656 183.5178 122 R 4.5312 7.9884 118.1668 58.3118 30.0203 179.6464 123 L 4.4736 6.7786 121.0041 53.5403 40.5014 176.8262 124 T 3.9364 7.6530 111.8466 62.1274 67.9978 173.9927 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 29 F 8.31 4.33 0.00 3.04 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 6.80 3.95 0.00 1.85 1.69 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.28 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.47 7.81 31 D 9.23 4.88 0.00 2.49 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.50 4.66 0.00 1.62 1.66 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.42 4.19 0.00 2.81 2.81 0.00 0.00 7.09 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.29 4.45 0.00 1.59 1.21 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.96 4.21 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 36 D 8.31 4.49 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.92 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.02 3.91 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 39 K 8.22 3.87 0.00 1.69 1.92 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.72 7.81 40 Q 8.00 4.17 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 41 Q 8.18 4.03 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 42 I 8.04 4.11 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.95 0.00 0.00 43 R 8.23 4.29 0.00 1.90 2.16 0.00 3.27 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 44 E 7.97 4.22 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 45 I 7.95 4.40 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.93 0.00 0.00 *47 K 8.13 4.27 0.00 1.71 1.85 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 48 G 7.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.84 4.39 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 50 R 7.86 4.35 0.00 1.99 1.82 0.00 3.28 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 51 D 7.73 5.03 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.30 4.18 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 *54 K 7.53 4.06 0.00 1.80 1.70 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 55 R 8.09 4.31 0.00 1.91 1.98 0.00 3.00 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 56 P 0.00 4.52 0.00 2.19 2.09 0.00 3.51 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 57 P 0.00 4.41 0.00 2.20 2.01 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 58 L 8.58 3.84 0.00 1.73 1.73 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.33 3.92 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 60 E 8.07 3.94 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 61 R 8.04 4.09 0.00 1.90 2.02 0.00 3.39 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 62 R 8.51 4.14 0.00 1.97 2.00 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 63 A 8.10 4.20 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 H 8.12 4.64 0.00 3.32 3.53 0.00 5.70 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.79 4.39 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.90 3.84 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.69 0.00 0.00 68 I 7.77 3.95 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 0.91 0.00 0.00 69 A 7.82 4.43 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.49 4.67 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.66 4.51 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.50 4.53 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 73 F 8.55 4.47 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.91 4.40 0.00 2.62 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.20 3.52 0.00 1.97 1.80 0.00 1.90 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.61 1.77 7.81 76 A 8.06 3.79 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.77 3.81 0.00 1.78 1.77 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.71 7.81 78 A 7.78 3.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.08 3.89 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 80 A 8.10 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.29 3.92 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 82 I 7.95 3.89 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 0.93 0.00 0.00 83 A 7.89 4.21 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.83 4.10 0.00 1.78 1.92 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.44 7.81 *86 E 8.35 4.30 0.00 2.28 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 87 E 8.11 3.98 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.95 0.00 88 Q 8.16 4.14 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 89 R 8.01 3.95 0.00 1.94 1.87 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.33 0.00 90 K 8.07 4.26 0.00 1.91 1.92 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.47 7.81 91 A 7.93 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.21 4.71 0.00 2.93 2.84 0.00 0.00 6.56 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 L 7.88 4.15 0.00 1.77 1.92 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.09 4.40 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 H 8.41 4.80 0.00 3.29 3.30 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *98 E 8.12 4.26 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 99 T 8.12 3.98 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 100 Q 8.19 4.07 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 101 N 8.42 4.31 0.00 2.74 2.97 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.82 4.06 0.00 1.95 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.48 7.81 103 I 7.71 3.86 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.68 1.00 0.00 0.00 104 Y 8.01 3.97 0.00 2.95 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 7.99 4.79 0.00 2.78 2.82 0.00 0.00 6.93 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.78 4.35 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.46 0.93 0.00 0.00 107 L 7.44 4.25 0.00 1.50 1.35 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 108 T 9.05 4.36 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 109 P 0.00 4.07 0.00 2.16 2.13 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 110 E 8.10 4.10 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 111 Q 7.69 4.06 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 112 K 8.70 3.97 0.00 1.80 1.72 0.00 1.49 0.00 0.00 1.17 0.00 0.00 2.37 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.65 1.31 7.81 113 K 8.05 3.97 0.00 2.01 1.98 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 114 Q 8.23 4.01 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 115 F 8.97 4.02 0.00 3.31 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.92 4.53 0.00 2.92 2.97 0.00 0.00 7.01 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.45 4.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.57 4.38 0.00 2.73 2.84 0.00 0.00 6.73 8.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 7.91 4.20 0.00 3.04 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.68 4.29 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.62 0.00 121 K 8.08 4.30 0.00 1.80 1.80 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.32 7.81 122 R 7.99 4.53 0.00 1.86 1.85 0.00 3.22 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 123 L 6.78 4.47 0.00 1.43 1.52 0.79 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.65 3.94 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.